Chemical Properties of [13C] GA58 methyl ester TMS ether

InChI

InChI=1S/C26H42O6Si2/c1-15-13-25-14-16(15)17(31-33(4,5)6)12-18(25)26-11-10-19(32-34(7,8)9)24(2,23(28)30-26)21(26)20(25)22(27)29-3/h16-21H,1,10-14H2,2-9H3/t16?,17-,18+,19-,20+,21+,24+,25-,26+/m1/s1

InChI Key

YJIAMACEKPLATL-XJFMSQKNSA-N

Formula

C26H42O6Si2

SMILES

C=C1CC23CC1C(O[Si](C)(C)C)CC2C12CCC(O[Si](C)(C)C)C(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

506.78

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6789		Relay (... Calculated Property
ΔfG°	-386.40	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1241.46	kJ/mol	Relay (... Calculated Property
ΔvapH°	111.84	kJ/mol	Relay (... Calculated Property
IE	8.99	eV	Relay (... Calculated Property
log10WS	-3.91		Relay (... Calculated Property
logPoct/wat	4.914		Crippen Calculated Property
Pc	141.74	kPa	Relay (... Calculated Property ⚠️
Inp	[2727.00; 2738.00]
Inp	2738.00		NIST
Inp	2727.00		NIST
Tboil	685.70	K	Relay (... Calculated Property
Tc	975.71	K	Relay (... Calculated Property
Tfus	368.44	K	Relay (... Calculated Property
Vc	1.505	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to [13C] GA58 methyl ester TMS ether.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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